%chk=000149065.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149065

0 1
 S    1.261900      -2.882800     -0.8787000    
 S   -6.242800       1.244800       1.933400    
 O  -0.1666000     -0.3194000      -1.466400    
 O   0.4208000      -2.768900      -2.060600    
 O    2.448000      -3.725200     -0.9099000    
 O    4.778700       1.635100       1.833400    
 O    5.281000     -0.5808000       1.890900    
 N   0.6317000       2.232500     -0.6736000    
 N   0.2922000      -3.346000      0.4487000    
 N   -4.901100      -1.104800       1.319700    
 C    1.378600       1.115600     -0.3382000    
 C   0.9762000     -0.1590000     -0.7372000    
 C    1.741700      -1.272400     -0.3905000    
 C    2.546400       1.276800      0.4074000    
 C    2.909600      -1.111000      0.3551000    
 C    3.311900      0.1636000      0.7541000    
 C   0.5437000       3.388000      6.8499997E-02
 C  -0.1410000       2.368200      -1.804100    
 C   -1.346300     -0.5154000     -0.7720000    
 C  -0.2901000       4.261400     -0.5942000    
 C  -0.7231000       3.616300      -1.778900    
 C    4.530300      0.3316000       1.530200    
 C   -1.319800     -0.5406000      0.6117000    
 C   -2.525700     -0.6820000      -1.477100    
 C   -2.509700     -0.7386000       1.312000    
 C   -3.715600     -0.8799000     -0.7767000    
 C   -3.707500     -0.9083000      0.6179000    
 C   -5.463300     -9.8700002E-02   1.575000    
 H    2.871700       2.273000      0.6932000    
 H    3.505100      -1.976400      0.6340000    
 H    1.050500       3.508100       1.017000    
 H  -0.1754000       1.635800      -2.598000    
 H  -0.5570000       5.253900     -0.2594000    
 H   -1.370500       4.024700      -2.542000    
 H  -0.7202000      -3.427500      0.2935000    
 H   0.6699000      -4.054800       1.089400    
 H  -0.4299000     -0.4129000       1.217300    
 H   -2.532900     -0.6606000      -2.562700    
 H   -2.492000     -0.7603000       2.398800    
 H   -4.642600      -1.012900      -1.328500    
 H    5.602500       1.737800       2.356100    


%chk=000149065-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149065

0 1
S 1.695211 -3.182036 -0.820041
S -7.799451 0.341346 2.124851
O -0.099552 -0.775958 -1.167355
O 1.339137 -3.285441 -2.397955
O 2.887644 -4.072437 -0.162583
O 5.111771 1.817575 1.549640
O 5.822258 -0.395777 1.477425
N 0.549096 2.038632 -0.520782
N 0.202338 -3.514053 0.198872
N -5.198762 -0.011555 1.048057
C 1.438277 0.965398 -0.244127
C 1.104304 -0.387325 -0.562729
C 2.068920 -1.388811 -0.334476
C 2.695705 1.228047 0.347850
C 3.313278 -1.144622 0.247160
C 3.617925 0.190910 0.610959
C 0.369127 3.171204 0.302285
C -0.218916 2.204901 -1.692785
C -1.357988 -0.519738 -0.543452
C -0.510898 4.036454 -0.343895
C -0.873464 3.431420 -1.605234
C 4.941840 0.461037 1.238264
C -1.497868 -0.191513 0.821259
C -2.480139 -0.695570 -1.379991
C -2.789582 -0.018532 1.351748
C -3.770035 -0.528405 -0.847425
C -3.934543 -0.182142 0.523840
C -6.305340 0.138749 1.506649
H 2.976344 2.259145 0.577233
H 4.024447 -1.958221 0.426293
H 0.847369 3.238398 1.277138
H -0.196739 1.462016 -2.486197
H -0.863913 4.988938 0.047956
H -1.534226 3.849623 -2.362598
H -0.630458 -3.516038 -0.412681
H 0.355810 -4.409519 0.693010
H -0.622389 -0.090171 1.468706
H -2.330357 -0.957261 -2.431247
H -2.922822 0.238030 2.406686
H -4.653012 -0.657298 -1.479933
H 6.008954 1.948600 1.958207


